› 4qab

X-ray diffraction
2.98Å resolution

X-RAY STRUCTURE of ACETYLCHOLINE BINDING PROTEIN (ACHBP) IN COMPLEX WITH 4-(MORPHOLIN-4-YL)-6-[4-(TRIFLUOROMETHYL)PHENYL]PYRIMIDIN-2-AMINE

Released:
DOI: 10.2210/pdb4qab/pdb
PDB entry 4qab coloured by chain, front view.
PDB entry 4qab coloured by chain, side view.
PDB entry 4qab coloured by chain, top view.
Source organism: Lymnaea stagnalis
Primary publication:
Structural basis for cooperative interactions of substituted 2-aminopyrimidines with the acetylcholine binding protein.
Kaczanowska K, Harel M, Radić Z, Changeux JP, Finn MG, Taylor P
Proc Natl Acad Sci U S A 111 10749-54 (2014)
PMID: 25006260

Function and Biology Details

Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo pentamer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-157653 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Acetylcholine-binding protein Chains: A, B, C, D, E, F, G, H, I, J
Molecule details ›
Chains: A, B, C, D, E, F, G, H, I, J
Length: 217 amino acids
Theoretical weight: 24.75 KDa
Source organism: Lymnaea stagnalis
Expression system: Homo sapiens
UniProt:
  • Canonical: P58154 (Residues: 20-228; Coverage: 100%)
Sequence domains: Neurotransmitter-gated ion-channel ligand binding domain
Structure domains: Neurotransmitter-gated ion-channel ligand-binding domain

Ligands and Environments

3 bound ligands:
Ligand KK2 10 x KK2
Ligand NAG 9 x NAG
Ligand PO4 10 x PO4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 8.2.2
Spacegroup: P212121
Unit cell:
a: 122.639Å b: 134.015Å c: 147.02Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.226 0.15 0.233
Expression system: Homo sapiens

Quick links

Citations

4 review citations

The nicotinic acetylcholine receptor and its prokaryotic homologues: Structure, conformational transitions & allosteric modulation.
Cecchini et al. (2015)
3 more

1 mention without citation

Structural basis for cooperative interactions of substituted 2-aminopyrimidines with the acetylcholine binding protein.
Kaczanowska et al. (2014)